4,6-ジクロロ-5-エチル-2-メチルピリミジン

4,6-Dichloro-5-ethyl-2-methylpyrimidine

HCID 21912425

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 175139-08-9
標準SMILES: CCc1c(Cl)nc(C)nc1Cl
InChIKey: HFLNGAJWQZIWRJ-UHFFFAOYSA-N
分子式: C7H8Cl2N2
平均分子量: 191.05 g/mol
単同位体質量: 190.0064537

名称と識別子

優先名称: 4,6-Dichloro-5-ethyl-2-methylpyrimidine
IUPAC: 4,6-dichloro-5-ethyl-2-methylpyrimidine
現地名: 4,6-ジクロロ-5-エチル-2-メチルピリミジン
英語名: 2-Methyl-5-ethyl-4,6-dichloropyrimidine
分子式: C7H8Cl2N2
分子量: 191.06

名称と別名

4,6-dichloro-5-ethyl-2-methylpyrimidine175139-08-9RefChem:96627835-122-02-METHYL-5-ETHYL-4,6-DICHLOROPYRIMIDINE4,6-dichloro-5-ethyl-2-methyl-pyrimidineSCHEMBL5844067HFLNGAJWQZIWRJ-UHFFFAOYSA-NDTXSID601277882AHA13908AKOS0129209492-methyl-5-ethyl-4,6-dichloro-pyrimidine

名称をさらに表示

4,6-ジクロロ-5-エチル-2-メチルピリミジンPYRIMIDINE, 4,6-DICHLORO-5-ETHYL-2-METHYL-

EN300-90659F541996F8880-6395Z1140399356

データベース識別子

CAS: 175139-08-9
PubChem CID: 21912425
DTXSID: DTXSID601277882
EC Number: 835-122-0

物性

構造計算による物性

XLogP: 3.3
極性表面積: 25.8 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 1
重原子数: 11
形式電荷: 0
複雑度: 120

物理化学的性質

融点: 207 · 207-208 °C
沸点: 212 · 212-214 °C
比重(密度): 1.283 · 1.283±0.06 g/cm3(Predicted)
酸解離定数(Pka): -3.5 · -3.50±0.39(Predicted)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.